Time resolved spectroscopy of 21st century materials

这个项目是一个物理化学项目，它将涉及先进的计算和光谱技术的发展，以研究21世纪的新材料。我们将重点使用最先进的、时间分辨的、瞬时吸收和发射光谱来询问一系列化合物，包括具有潜在工业意义的有机和无机化合物。在第一个例子中，我们将研究一系列基于喹恶啉的Ir络合物的光物理性质，这些都是非常有用的不稳定的荧光粉。我们将使用实验和计算化学技术来帮助理解这些配合物的电子性质，例如检查相对于配体设计和结合基序的吸收和发射带的位置和强度，以及自旋轨道耦合矩阵元素的大小如何改变发射性质。然后，我们试图利用这种结构-活性信息来指导合成的无机配合物的合理设计，以获得高的三重态-三重态湮没上转换效率，以及如何最大化上转换过程中涉及的电子能量转移。

This project is a physical chemistry project that will involve the development of advanced computational andspectroscopic techniques for the investigation of novel 21st century materials. We will focus on the use of state-ofthe-art, time resolved, transient absorption and emission spectroscopy to interrogate a range of compounds bothorganic and inorganic compounds of potential industrial relevance. In the first instance, we will investigate thephotophysical properties of a range of quinoxalene based iridium complexes, which are remarkably useful astunable phosphors. We will use both experimental and computational chemistry techniques to assist in theunderstanding of the electronic character of these complexes, for example examining the position and intensity ofabsorption and emission bands relative to the ligand design and binding motifs, and how the magnitude of the spinorbit coupling matrix elements alter the emissive properties. We then seek to use this structure-activity informationto inform upon the rational design of inorganic complexes synthesized for their high triplet-triplet annihilationupconversion efficiencies, and how we might maximise the electron energy transfers involved in the upconversionprocess.